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arXiv:1206.6909 · Physical Review E

Demonstration of Jarzynski's equality in open quantum systems using a stepwise pulling protocol

Van A. Ngo, Stephan Haas

Published Sep 20, 2012• 13 citations
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Abstract

We present a generalization of Jarzynski's equality, applicable to quantum systems, that is related to discretized mechanical work and free-energy changes. The theory is based on a stepwise pulling protocol. We find that work distribution functions can be constructed from fluctuations of a reaction coordinate along a reaction pathway in the stepwise pulling protocol. We also propose two sets of equations to determine the two possible optimal pathways that provide the most significant contributions to free-energy changes. We find that the transitions along these most optimal pathways, satisfying both sets of equations, follow the principle of detailed balance. We then test the theory by explicitly computing the free-energy changes for a one-dimensional quantum harmonic oscillator. This approach suggests a feasible way of measuring the fluctuations to experimentally test Jarzynski's equality in many-body systems, such as Bose-Einstein condensates.

DOI
10.1103/physreve.86.031127

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We present a generalization of Jarzynski's equality, applicable to quantum systems, that is related to discretized mechanical work and free-energy changes. The theory is based on a stepwise pulling protocol. We find that work distribution functions can be constructed from fluctuations of a reaction coordinate along a reaction pathway in the stepwise pulling protocol. We also propose two sets of equations to determine the two possible optimal pathways that provide the most significant contributions to free-energy changes. We find that the transitions along these most optimal pathways, satisfying both sets of equations, follow the principle of detailed balance. We then test the theory by explicitly computing the free-energy changes for a one-dimensional quantum harmonic oscillator. This approach suggests a feasible way of measuring the fluctuations to experimentally test Jarzynski's equality in many-body systems, such as Bose-Einstein condensates.
The classical Jarzynski equality establishes an exact relation between the stochastic work performed on a system driven out of thermal equilibrium and the free energy difference in a corresponding quasistatic process. This fluctuation theorem bears experimental relevance, as it enables the determination of the free energy difference through the measurement of externally applied work in a nonequilibrium process. In the quantum case, the Jarzynski equality only holds if the measurement procedure of the stochastic work is drastically changed: it is replaced by a so-called two-point measurement scheme that requires the knowledge of the initial and final Hamiltonian and therefore lacks the predictive power for the free energy difference that the classical Jarzynski equation is known for. Here, we propose a quantum fluctuation theorem that is valid for externally measurable quantum work determined during the driving protocol. In contrast to the two-point measurement case, the theorem also applies to open quantum systems and the scenario can be realized without knowing the system Hamiltonian. Our fluctuation theorem comes in the form of an inequality and therefore only yields bounds to the true free energy difference. The inequality is saturated in the quasiclassical case of vanishing energy coherences at the beginning and at the end of the protocol. Thus, there is a clear quantum disadvantage.
A result of great theoretical and experimental interest, the Jarzynski equality predicts a free energy change $\mathrm{\ensuremath{\Delta}}F$ of a system at inverse temperature $\ensuremath{\beta}$ from an ensemble average of nonequilibrium exponential work, i.e., $\ensuremath{\langle}{e}^{\ensuremath{-}\ensuremath{\beta}W}\ensuremath{\rangle}={e}^{\ensuremath{-}\ensuremath{\beta}\mathrm{\ensuremath{\Delta}}F}$. The number of experimental work values needed to reach a given accuracy of $\mathrm{\ensuremath{\Delta}}F$ is determined by the variance of ${e}^{\ensuremath{-}\ensuremath{\beta}W}$, denoted $\mathrm{var}({e}^{\ensuremath{-}\ensuremath{\beta}W})$. We discover in this work that $\mathrm{var}({e}^{\ensuremath{-}\ensuremath{\beta}W})$ in both harmonic and anharmonic Hamiltonian systems can systematically diverge in nonadiabatic work protocols, even when the adiabatic protocols do not suffer from such divergence. This divergence may be regarded as a type of dynamically induced phase transition in work fluctuations. For a quantum harmonic oscillator with time-dependent trapping frequency as a working example, any nonadiabatic work protocol is found to yield a diverging $\mathrm{var}({e}^{\ensuremath{-}\ensuremath{\beta}W})$ at sufficiently low temperatures, markedly different from the classical behavior. The divergence of $\mathrm{var}({e}^{\ensuremath{-}\ensuremath{\beta}W})$ indicates the too-far-from-equilibrium nature of a nonadiabatic work protocol and makes it compulsory to apply designed control fields to suppress the quantum work fluctuations in order to test the Jarzynski equality.
In this Letter we propose a framework to define work as a quantum observable on a control device which is driving a system. Motivated by the conceptual difference between well known quantum versions of the Jarzynski equality (JE), where the initial and final system Hamiltonian have to be known in advance, and their classical counterparts where such knowledge is not needed, we construct a scheme where a work increment is given by an expectation value of a quantum observable on an external system. We further show that such a definition of work satisfies a fluctuation theorem which allows the free energy difference to be estimated operationally without knowledge about the Hamiltonian of the system at the end of the driving protocol. However, knowledge about the basis of the initial Hamiltonian is in general still needed. Providing two examples we describe how bounds on free energy differences could approximately be determined in experiments.
We consider the quantum mechanical generalization of Crooks Fluctuation Theorem and Jarzynski Equality for an open quantum system. The explicit expression for microscopic work for an arbitrary prescribed protocol is obtained, and the relation between quantum Crooks Fluctuation Theorem, quantum Jarzynski Equality and their classical counterparts are clarified. Numerical simulations based on a two-level toy model are used to demonstrate the validity of the quantum version of the two theorems beyond linear response theory regime.
The quantum Jarzynski equality and the Crooks relation are fundamental laws connecting equilibrium processes with nonequilibrium fluctuations.They are promising tools to benchmark quantum devices and measure free energy differences.While they are well established theoretically and also experimental realizations for few-body systems already exist, their experimental validity in the quantum many-body regime has not been observed so far.Here, we present results for nonequilibrium protocols in systems with up to 16 interacting degrees of freedom obtained on trapped ion and superconducting qubit quantum computers, which test the quantum Jarzynski equality and the Crooks relation in the many-body regime.To achieve this, we overcome present-day limitations in the preparation of thermal ensembles and in the measurement of work distributions on noisy intermediate-scale quantum devices.We discuss the accuracy to which the Jarzynski equality holds on different quantum computing platforms subject to platformspecific errors.The analysis reveals the validity of Jarzynski's equality in a regime with energy dissipation, compensated for by a fast unitary drive.This provides new insights for analyzing errors in many-body quantum simulators.
The Jarzynski equality provides a strict link between nonequilibrium work and equilibrium free energy changes. Its typical quantum formulations, however, rely on measurement protocols that destroy coherence. In this Letter, we use the resource-theoretic approach to derive a non-destructive quantum Jarzynski equality conditioned on the outcomes of an arbitrary bath observable. This yields the Rényi-Jarzynski equality, which quantifies a finite bath's drift from equilibrium under a non-adiabatic drive via the Rényi kkk-divergence. We further demonstrate that the Rényi-Jarzynski equality provides a tunable cost function for quantum optimal control problems where minimizing bath drift is desired, such as state preparation and gate design, enabling the minimization of cross-talk in finite quantum systems. Our toy model exhibits a transition between competing minima for some critical value of kkk, illustrating how the Rényi order tunes sensitivity to different regions of a bath distribution. Strikingly, when drive parameters vary across bath energy levels, minimizing bath drift requires generating system-bath entanglement.